Objective This project will advance the state of the art in virtual drug screening by developing novel spherical harmonic-based consensus clustering algorithms. The main disease that will be targeted in this project is the acquired immune deficiency syndrome (AIDS), caused by the human immuno-deficiency virus (HIV). However, the approach will be quite generic and will be broadly applicable to many other diseases. The approach will be tested and validated using 40 well-known drug targets from the DUD dataset. It will then be used to screen the French Chimiothèque Nationale library of some 36000 compounds for novel ligands which will bind the CCR5 co-receptor and hence block HIV infection. A small list of candidate entry-blocking compounds will be sent to Barcelona for experimental testing. By extending the SH-based consensus clustering technique, this project will provide a generic tool to help deal with cases where multiple ligands may be associated with multiple pocket sub-sites or which may bind multiple targets, and it will help to find new HIV entry-blocking compounds. Fields of science natural sciencesbiological sciencesmicrobiologyvirologymedical and health scienceshealth sciencesinfectious diseasesRNA virusesHIV Programme(s) FP7-PEOPLE - Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013) Topic(s) FP7-PEOPLE-2009-IEF - Marie Curie Action: "Intra-European Fellowships for Career Development" Call for proposal FP7-PEOPLE-2009-IEF See other projects for this call Funding Scheme MC-IEF - Intra-European Fellowships (IEF) Coordinator INSTITUT NATIONAL DE RECHERCHE EN INFORMATIQUE ET AUTOMATIQUE EU contribution € 166 462,40 Address DOMAINE DE VOLUCEAU ROCQUENCOURT 78153 Le Chesnay Cedex France See on map Region Ile-de-France Ile-de-France Yvelines Activity type Research Organisations Administrative Contact Elisabeth Moine (Ms.) Links Contact the organisation Opens in new window Website Opens in new window Total cost No data
